CID 77008

Ethoxysilatrane

Structural Information

Molecular Formula

C₈H₁₇NO₄Si

SMILES

CCO[Si]12OCCN(CCO1)CCO2

InChI

InChI=1S/C8H17NO4Si/c1-2-10-14-11-6-3-9(4-7-12-14)5-8-13-14/h2-8H2,1H3

InChIKey

RAQAYUJGWWHPLN-UHFFFAOYSA-N

Compound name

1-ethoxy-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 11
References: 34
Patents: 219.09268 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	220.09996	169.8
[M+Na]+	242.08190	169.8
[M+NH4]+	237.12650	169.8
[M+K]+	258.05584	169.8
[M-H]-	218.08540	169.8
[M+Na-2H]-	240.06735	169.8
[M]+	219.09213	169.8
[M]-	219.09323	169.8

Literature stripe

literature stripe

Patent stripe

patents stripe